==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-10 2XUO . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.BOURNE,Z.RADIC,P.TAYLOR,P.MARCHOT . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 64 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 4 0 4 1 2 2 5 1 1 1 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A E 0 0 167 0, 0.0 4,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 128.7 30.1 15.2 55.4 2 2 A G + 0 0 72 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.345 360.0 4.0-125.0 -70.3 28.1 17.0 58.1 3 3 A R S S+ 0 0 250 2,-0.1 2,-0.0 3,-0.0 0, 0.0 0.088 91.9 136.1-110.5 19.3 25.1 18.5 56.6 4 4 A E - 0 0 63 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.312 66.7 -93.9 -72.6 155.2 25.3 17.2 53.0 5 5 A D > - 0 0 47 1,-0.2 3,-2.9 3,-0.1 4,-0.3 -0.581 30.4-141.8 -72.2 113.0 22.4 15.8 51.0 6 6 A P T 3 S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.577 98.2 60.7 -48.8 -18.4 22.5 12.0 51.5 7 7 A Q T 3 S+ 0 0 46 1,-0.2 100,-0.1 3,-0.0 13,-0.1 0.531 97.7 57.8 -91.8 -6.8 21.4 11.5 47.9 8 8 A L S < S+ 0 0 17 -3,-2.9 11,-3.1 11,-0.1 2,-0.5 0.404 84.7 87.3-108.2 0.6 24.5 13.2 46.5 9 9 A L E +A 18 0A 37 -3,-0.3 2,-0.3 -4,-0.3 9,-0.2 -0.921 51.5 156.9-107.0 124.1 27.2 11.1 48.0 10 10 A V E -A 17 0A 12 7,-1.8 7,-2.8 -2,-0.5 2,-0.4 -0.993 30.3-140.2-148.3 139.3 28.2 8.0 46.0 11 11 A R E +A 16 0A 152 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.841 19.4 178.6-102.2 140.7 31.3 5.8 45.8 12 12 A V E > -A 15 0A 9 3,-2.6 3,-2.5 -2,-0.4 174,-0.1 -0.783 51.3 -82.9-128.3 178.0 32.7 4.4 42.5 13 13 A R T 3 S+ 0 0 162 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.701 128.8 50.8 -61.2 -20.4 35.8 2.2 41.9 14 14 A G T 3 S- 0 0 12 1,-0.3 42,-2.7 41,-0.1 -1,-0.3 0.518 121.8 -90.3 -93.5 -6.6 38.1 5.2 41.9 15 15 A G E < -A 12 0A 4 -3,-2.5 -3,-2.6 40,-0.2 -1,-0.3 -0.887 66.0 -14.9 133.2-165.7 36.8 6.7 45.2 16 16 A Q E -Ab 11 59A 59 42,-0.7 44,-2.8 -2,-0.3 2,-0.3 -0.525 50.7-166.2 -82.1 142.4 34.1 9.0 46.6 17 17 A L E -Ab 10 60A 1 -7,-2.8 -7,-1.8 42,-0.2 2,-0.5 -0.960 13.2-152.2-125.7 144.8 32.1 11.5 44.6 18 18 A R E -Ab 9 61A 69 42,-2.5 44,-2.5 -2,-0.3 -9,-0.2 -0.966 22.4-172.3-114.6 116.3 29.9 14.5 45.5 19 19 A G - 0 0 4 -11,-3.1 2,-0.4 -2,-0.5 13,-0.2 -0.190 16.9-115.7 -92.9-171.8 27.1 15.2 43.0 20 20 A I E -C 31 0B 55 11,-3.0 11,-2.9 42,-0.3 2,-0.9 -0.970 12.9-125.6-134.5 142.9 24.6 18.1 42.7 21 21 A R E -C 30 0B 125 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.785 35.5-165.8 -90.1 106.1 20.9 18.3 42.9 22 22 A L E -C 29 0B 26 7,-2.5 7,-2.5 -2,-0.9 2,-0.5 -0.713 17.8-122.2 -96.4 144.1 19.7 20.0 39.7 23 23 A K E +C 28 0B 171 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.722 28.6 179.4 -81.5 124.3 16.2 21.5 38.9 24 24 A A E > -C 27 0B 12 3,-2.1 3,-1.3 -2,-0.5 113,-0.0 -0.784 45.4 -99.5-108.3 164.5 14.4 20.1 35.9 25 25 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 431,-0.0 0.895 121.2 35.2 -48.7 -47.8 10.9 21.4 35.0 26 26 A G T 3 S- 0 0 59 1,-0.2 -3,-0.0 111,-0.0 111,-0.0 0.301 130.7 -45.0 -97.0 10.2 9.0 18.6 36.7 27 27 A G E < S-C 24 0B 20 -3,-1.3 -3,-2.1 2,-0.0 -1,-0.2 -0.874 74.6 -49.1 151.0 178.6 11.3 17.9 39.7 28 28 A P E -C 23 0B 37 0, 0.0 77,-0.7 0, 0.0 2,-0.3 -0.393 42.2-168.1 -80.3 158.6 14.9 17.5 40.9 29 29 A V E -CD 22 104B 0 -7,-2.5 -7,-2.5 75,-0.2 2,-0.5 -0.946 20.9-119.6-134.9 161.8 17.5 15.3 39.4 30 30 A S E -CD 21 103B 0 73,-3.1 73,-2.6 -2,-0.3 2,-0.4 -0.888 27.8-173.1-102.4 126.7 21.0 14.1 40.6 31 31 A A E -CD 20 102B 0 -11,-2.9 -11,-3.0 -2,-0.5 2,-0.6 -0.973 15.7-171.3-118.6 136.6 24.0 15.0 38.5 32 32 A F E - D 0 101B 0 69,-2.6 69,-2.5 -2,-0.4 2,-0.4 -0.967 25.5-177.1-118.5 106.0 27.6 13.7 39.0 33 33 A L E +m 63 0C 8 29,-3.3 31,-0.5 -2,-0.6 67,-0.2 -0.870 52.6 21.6-115.3 139.9 29.6 15.8 36.6 34 34 A G E + 0 0 2 -2,-0.4 -1,-0.2 65,-0.3 66,-0.2 0.858 68.8 169.4 78.6 36.2 33.3 15.7 35.7 35 35 A I E - D 0 99B 0 64,-2.6 64,-2.2 -3,-0.3 2,-0.4 -0.723 33.9-127.9 -81.2 121.4 34.1 12.2 36.9 36 36 A P E + D 0 98B 3 0, 0.0 62,-0.2 0, 0.0 17,-0.1 -0.538 33.4 171.0 -72.8 127.7 37.5 11.2 35.8 37 37 A F + 0 0 4 60,-1.6 16,-1.1 -2,-0.4 2,-0.3 0.515 64.1 30.3-109.1 -8.3 37.6 8.0 33.9 38 38 A A B S-N 52 0D 3 59,-1.0 15,-0.1 14,-0.3 -1,-0.1 -0.931 88.8 -92.3-139.2 165.7 41.2 8.1 32.6 39 39 A E - 0 0 13 12,-2.3 12,-0.3 -2,-0.3 14,-0.1 -0.606 65.5 -86.9 -70.4 136.7 44.6 9.4 33.6 40 40 A P - 0 0 27 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.264 38.3-134.8 -47.6 124.6 45.0 12.8 32.0 41 41 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.272 60.7 130.5 -80.7 55.3 46.4 12.0 28.5 42 42 A V > - 0 0 61 -2,-1.9 3,-0.9 3,-0.1 2,-0.2 -0.551 52.6 -0.8-110.8 165.8 49.0 14.8 28.7 43 43 A G G > S+ 0 0 47 1,-0.3 3,-1.8 2,-0.2 0, 0.0 -0.359 132.7 7.2 63.1-125.4 52.7 15.1 28.2 44 44 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.394 129.5 64.1 -71.3 8.0 54.5 11.8 27.1 45 45 A R G X + 0 0 60 -3,-0.9 3,-1.2 225,-0.1 -1,-0.3 0.400 67.8 121.6-122.6 -3.8 51.0 10.4 26.8 46 46 A R T < S+ 0 0 12 -3,-1.8 -4,-0.1 1,-0.2 224,-0.1 -0.356 85.0 14.2 -55.8 142.2 49.6 12.5 24.0 47 47 A F T 3 S+ 0 0 3 109,-0.5 122,-0.4 1,-0.2 -1,-0.2 0.182 105.4 116.1 69.4 -16.3 48.5 10.3 21.1 48 48 A M S < S- 0 0 43 -3,-1.2 -1,-0.2 119,-0.1 118,-0.1 -0.421 77.4 -92.6 -80.7 156.7 48.7 7.2 23.4 49 49 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.177 53.7 -98.4 -54.0 159.1 45.8 4.9 24.4 50 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.647 29.5-143.2 -86.7 146.0 44.2 6.0 27.7 51 51 A E - 0 0 86 -12,-0.3 -12,-2.3 -2,-0.3 3,-0.1 -0.850 34.1 -91.6 -99.2 145.8 45.0 4.3 31.0 52 52 A P B -N 38 0D 92 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.145 53.2 -93.2 -47.7 143.3 42.3 3.7 33.7 53 53 A K - 0 0 62 -16,-1.1 -14,-0.1 -15,-0.1 3,-0.1 -0.439 39.2-120.3 -67.9 129.1 42.0 6.6 36.2 54 54 A R - 0 0 159 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.513 38.6 -96.8 -71.4 133.1 44.2 6.0 39.3 55 55 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.151 42.4-149.2 -51.1 140.6 42.0 5.9 42.6 56 56 A W - 0 0 46 -42,-2.7 2,-0.3 2,-0.1 -40,-0.2 -0.682 7.3-122.1-106.8 165.3 41.9 9.3 44.5 57 57 A S + 0 0 119 -2,-0.2 -42,-0.0 -42,-0.1 -43,-0.0 -0.763 69.7 12.3-106.2 157.8 41.5 10.0 48.2 58 58 A G S S- 0 0 46 -2,-0.3 -42,-0.7 2,-0.1 2,-0.7 -0.162 107.7 -39.8 72.3-173.2 38.8 12.1 49.8 59 59 A V E -b 16 0A 51 -44,-0.1 2,-0.4 -42,-0.1 -42,-0.2 -0.800 56.2-142.9 -94.6 113.8 35.5 13.2 48.2 60 60 A L E -b 17 0A 42 -44,-2.8 -42,-2.5 -2,-0.7 2,-0.7 -0.637 20.3-122.6 -73.1 126.5 36.0 14.3 44.6 61 61 A D E +b 18 0A 81 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.604 34.7 172.2 -73.2 112.9 33.7 17.2 43.7 62 62 A A + 0 0 0 -44,-2.5 -29,-3.3 -2,-0.7 -42,-0.3 -0.280 43.2 108.9-115.4 47.9 31.5 16.3 40.8 63 63 A T B S+m 33 0C 36 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.587 74.0 42.9 -98.6 -12.9 29.2 19.3 40.8 64 64 A T S S- 0 0 82 -31,-0.5 -1,-0.1 -3,-0.3 0, 0.0 -0.971 88.1 -95.8-137.5 151.0 30.4 21.0 37.5 65 65 A F - 0 0 35 -2,-0.3 3,-0.1 64,-0.1 -2,-0.1 -0.301 41.8-132.2 -61.8 143.7 31.4 20.0 34.0 66 66 A Q - 0 0 62 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.181 40.6 -53.6 -86.4-174.7 35.1 19.5 33.4 67 67 A N - 0 0 28 28,-0.3 2,-0.3 1,-0.1 31,-0.2 -0.115 50.1-119.9 -62.4 155.4 37.4 20.7 30.6 68 68 A V B -o 92 0E 0 23,-2.8 25,-2.3 -3,-0.1 3,-0.1 -0.760 36.9-100.2 -95.7 141.2 36.6 20.3 26.9 69 69 A a - 0 0 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.2 -0.279 55.0 -80.1 -63.0 147.7 39.2 18.3 24.8 70 70 A Y S S+ 0 0 49 23,-0.4 83,-0.3 22,-0.1 2,-0.3 -0.237 72.5 151.8 -57.6 126.4 41.5 20.5 22.8 71 71 A Q - 0 0 4 -3,-0.1 2,-0.4 83,-0.1 54,-0.1 -0.979 51.0 -86.0-154.5 163.3 39.8 21.6 19.6 72 72 A Y - 0 0 96 52,-0.8 2,-0.5 -2,-0.3 52,-0.0 -0.613 41.3-142.7 -69.7 123.3 39.2 24.0 16.8 73 73 A V - 0 0 60 -2,-0.4 11,-0.1 14,-0.1 14,-0.1 -0.825 23.7-114.1 -91.3 122.4 36.8 26.8 17.9 74 74 A D + 0 0 16 -2,-0.5 13,-0.1 9,-0.2 9,-0.0 -0.264 41.8 163.6 -60.6 133.4 34.4 27.8 15.0 75 75 A T + 0 0 95 3,-0.1 -1,-0.1 4,-0.0 -2,-0.0 0.239 41.4 108.3-136.2 12.5 34.8 31.4 13.8 76 76 A L S S+ 0 0 74 1,-0.2 -2,-0.0 7,-0.0 -1,-0.0 0.869 98.9 19.2 -54.3 -39.7 33.0 31.5 10.4 77 77 A Y S > S- 0 0 33 3,-0.1 3,-1.8 4,-0.0 6,-0.3 -0.581 83.4-151.9-136.7 73.9 30.2 33.6 12.1 78 78 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.121 80.8 11.3 -47.6 134.4 31.1 35.4 15.4 79 79 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 2,-0.1 -4,-0.0 0.086 93.5 133.8 85.0 -20.8 28.3 36.1 17.9 80 80 A F X> - 0 0 25 -3,-1.8 4,-2.2 1,-0.1 3,-1.1 -0.454 51.9-150.1 -70.0 121.6 25.9 33.8 15.9 81 81 A E H 3> S+ 0 0 131 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.836 90.2 71.0 -58.5 -32.6 24.0 31.3 18.0 82 82 A G H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 353,-0.1 0.727 113.6 22.6 -63.4 -26.3 23.9 28.8 15.2 83 83 A T H X> S+ 0 0 4 -3,-1.1 3,-2.2 -6,-0.3 4,-0.8 0.772 117.6 60.4-105.3 -43.6 27.6 28.0 15.4 84 84 A E H >< S+ 0 0 75 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.855 91.0 69.6 -56.0 -33.2 28.4 29.0 19.0 85 85 A M T 3< S+ 0 0 41 -4,-2.3 47,-0.3 1,-0.3 -1,-0.3 0.673 105.4 42.8 -62.9 -10.5 25.9 26.5 20.4 86 86 A W T <4 S+ 0 0 61 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.573 95.3 101.8-103.4 -16.6 28.3 23.8 19.2 87 87 A N S << S- 0 0 22 -3,-1.2 -14,-0.1 -4,-0.8 40,-0.1 -0.275 90.2 -79.6 -68.4 153.4 31.4 25.6 20.4 88 88 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.248 35.6-164.6 -57.6 140.3 33.2 24.5 23.6 89 89 A N S S+ 0 0 49 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.208 70.1 46.0-112.8 11.0 31.5 25.8 26.8 90 90 A R S S- 0 0 111 1,-0.1 -23,-0.1 40,-0.0 -24,-0.1 -0.882 103.7 -66.5-139.0 172.4 34.3 25.1 29.2 91 91 A E - 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